Summary

IMPPAT Phytochemical identifier: IMPHY010034

Phytochemical name: 4'-Hydroxy-5,6,7,3',5'-pentamethoxyflavone

Synonymous chemical names:
5,6,7,3',5'-pentamethoxy-4'-hydroxyflavone(ageconyflavone c), ageconyflavone c

External chemical identifiers:
CID:44258535, ZINC:ZINC000014437149

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Chemical structure information

SMILES:
COc1cc2oc(cc(=O)c2c(c1OC)OC)c1cc(OC)c(c(c1)OC)O

InChI:
InChI=1S/C20H20O8/c1-23-14-6-10(7-15(24-2)18(14)22)12-8-11(21)17-13(28-12)9-16(25-3)19(26-4)20(17)27-5/h6-9,22H,1-5H3

InChIKey:
LRBNYMQUUAIWST-UHFFFAOYSA-N

DeepSMILES:
COcccoccc=O)c6cc%10OC)))OC))))))cccOC))ccc6)OC)))O

Functional groups:
c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.044

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Chemical structure download